Geometry & MOs

Info

ID:	342042
PubChem CID:	127264755
Reduced:	ClNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-123.23
Dipole, Da:	4.22
IP(EA), eV:	-9.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=CC1=CC(=CC=C1)Cl)C(=O)NCC(C)(C)S(=O)(=O)C

DOS

IR

Vibrations