Geometry & MOs

Info

ID:	346459
PubChem CID:	127270963
Reduced:	F3O3N4C17H25 (1)
Stoich.:	A3B3C4D17E25 (1)
Weight, g/mol:	397.155705
ΔH_f, kcal/mol:	-315.62
Dipole, Da:	3.2
IP(EA), eV:	-9.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-(2,3-dihydro-1H-indene-4-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)CC(F)(F)F)N2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations