Geometry & MOs

Info

ID:	364812
PubChem CID:	127316185
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	3.71
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations