Geometry & MOs

Info

ID:	333169
PubChem CID:	127251717
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	7.86
IP(EA), eV:	-8.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-aminopyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CC(=NC2=N1)C3CN(CCO3)C(=O)CCC4=C(C=C5CCCC5=C4)OC)N

DOS

IR

Vibrations