Geometry & MOs

Info

ID:	366528
PubChem CID:	127320044
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-imidazol-1-yl-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)C3CC(=O)N(C3C4=CN=CC=C4)C

DOS

IR

Vibrations