Geometry & MOs

Info

ID:	331239
PubChem CID:	127248646
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-75.77
Dipole, Da:	6.74
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(N=CC=C1)C2CCN(C2)S(=O)(=O)C3=CN(C=N3)C

DOS

IR

Vibrations