Geometry & MOs

Info

ID:	164552
PubChem CID:	74415616
Reduced:	SN4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	378.187818
ΔH_f, kcal/mol:	96.87
Dipole, Da:	11.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754197
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2C(CNN2)C[NH2+]CC3=C(N=CS3)C4=CC=CC=C4)C

DOS

IR

Vibrations