Geometry & MOs

Info

ID:	331826
PubChem CID:	127250112
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-1.24
Dipole, Da:	8.23
IP(EA), eV:	-8.58(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[2-[6-[(2-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)CC(=O)NC4=C(N(N=C4)C)C

DOS

IR

Vibrations