Geometry & MOs

Info

ID:	331375
PubChem CID:	127248782
Reduced:	FO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-36.96
Dipole, Da:	3.01
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CC3=CC=CC=N3)C4=CC(=CC=C4)F

DOS

IR

Vibrations