Geometry & MOs

Info

ID:	196581
PubChem CID:	78850604
Reduced:	FO2N3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	361.216555
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	8.48
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-(2-methylprop-2-enyl)acetamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1)C(=O)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations