Geometry & MOs

Info

ID:	417200
PubChem CID:	135091628
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-26.74
Dipole, Da:	2.73
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-1-[4-(5-methyl-1H-imidazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CCC(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations