Geometry & MOs

Info

ID:	368397
PubChem CID:	127328305
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	3.35
IP(EA), eV:	-8.42(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)CC4CN(CCO4)C(C)C)C

DOS

IR

Vibrations