Geometry & MOs

Info

ID:	223498
PubChem CID:	85335129
Reduced:	NO2C26H33 (1)
Stoich.:	AB2C26D33 (1)
Weight, g/mol:	395.151288
ΔH_f, kcal/mol:	-89.92
Dipole, Da:	4.07
IP(EA), eV:	-8.7(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-6-methyl-N-(5-phenylpyrazolidin-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C=O)C(=CC(=O)C34CC5CC(C3)CC(C5)C4)NC1(C)C)C

DOS

IR

Vibrations