Geometry & MOs

Info

ID:	366788
PubChem CID:	127320325
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	315.161663
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	8.97
IP(EA), eV:	-9.42(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3CC3

DOS

IR

Vibrations