Geometry & MOs

Info

ID:	358454
PubChem CID:	127296050
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	2.08
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)N2CCCCC(C2)N3CCCC3)F

DOS

IR

Vibrations