Geometry & MOs

Info

ID:	177186
PubChem CID:	76143817
Reduced:	O2F3N7C29H40 (1)
Stoich.:	A2B3C7D29E40 (1)
Weight, g/mol:	387.15699
ΔH_f, kcal/mol:	-230.06
Dipole, Da:	4.12
IP(EA), eV:	-8.92(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl)-4-fluorophenyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CCCC3C(=O)NC(C)C)C(F)(F)F)C(=O)N(C)C4CCN(CC4)C

DOS

IR

Vibrations