Geometry & MOs

Info

ID:	346788
PubChem CID:	127271292
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	2.38
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfonyl-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations