Geometry & MOs

Info

ID:	126282
PubChem CID:	50958421
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	315.267448
ΔH_f, kcal/mol:	-152.89
Dipole, Da:	7.21
IP(EA), eV:	-9.49(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CCN2CCS(=O)(=O)CC2

DOS

IR

Vibrations