Geometry & MOs

Info

ID:	80197
PubChem CID:	49833490
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	421.172559
ΔH_f, kcal/mol:	4.49
Dipole, Da:	4.24
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(5-aminopyrazin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N(C)[C@H](C)C5=CC=CC=C5

DOS

IR

Vibrations