Geometry & MOs

Info

ID:	414706
PubChem CID:	135087665
Reduced:	ClNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	3.62
IP(EA), eV:	-9.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylimidazol-4-yl)-[4-[3-(2-methylimidazol-1-yl)propyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)CC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations