Geometry & MOs

Info

ID:	331373
PubChem CID:	127248780
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-1.03
Dipole, Da:	5.49
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-4-[4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)C(=O)N)N(C)C

DOS

IR

Vibrations