Geometry & MOs

Info

ID:	356711
PubChem CID:	127292192
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	2.83
IP(EA), eV:	-8.67(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)NCC3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations