Geometry & MOs

Info

ID:	126954
PubChem CID:	50985231
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-80.17
Dipole, Da:	4.65
IP(EA), eV:	-8.87(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]azepan-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2CCC(CC2)(C3=CC=CC=N3)O)N4CCCC4

DOS

IR

Vibrations