Geometry & MOs

Info

ID:	58593
PubChem CID:	24712244
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	319.262363
ΔH_f, kcal/mol:	-67.6
Dipole, Da:	5.4
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(3-methylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2N(C(=O)CS2)CCN(C(C)C)C(=O)C3CC3

DOS

IR

Vibrations