Geometry & MOs

Info

ID:	415094
PubChem CID:	135088080
Reduced:	N4O5C18H22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-145.38
Dipole, Da:	4.77
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylimidazol-4-yl)-[4-(1-phenylcyclohexanecarbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CCNC(=O)C2=NN3CC(CNC(=O)C3=C2)O)OC

DOS

IR

Vibrations