Geometry & MOs

Info

ID:	306033
PubChem CID:	125000778
Reduced:	ClO2N5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	5.35
IP(EA), eV:	-9.3(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-1-(1H-imidazole-5-carbonyl)-6-[[4-(3-methylphenyl)phenyl]methyl]-4-propyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@H]2COCCN2C(=O)CN3C=C(C=N3)Cl

DOS

IR

Vibrations