Geometry & MOs

Info

ID:	223973
PubChem CID:	85336431
Reduced:	O2N7C21H25 (1)
Stoich.:	A2B7C21D25 (1)
Weight, g/mol:	411.196963
ΔH_f, kcal/mol:	12.86
Dipole, Da:	8.63
IP(EA), eV:	-8.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methoxyethyl)-2-oxoazepan-4-yl]propanamide

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)N3CCN(CC3)C4NC(CC(=O)N4)C5=CC=NC=C5)N=CN2

DOS

IR

Vibrations