Geometry & MOs

Info

ID:	177903
PubChem CID:	76250421
Reduced:	ON5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	400.222289
ΔH_f, kcal/mol:	38.65
Dipole, Da:	3.38
IP(EA), eV:	-8.35(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(dimethylamino)pyridin-3-yl]methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-5H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NCC3=CN=C(C=C3)N(C)C)C

DOS

IR

Vibrations