Geometry & MOs

Info

ID:	316149
PubChem CID:	126630212
Reduced:	N5O6C29H39 (1)
Stoich.:	A5B6C29D39 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-219.96
Dipole, Da:	7.36
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal

Drug info:

PubChemData

Smile

C/C=C/C1=CC2=C(C=C1)C=CC(=N2)[C@@H](C)OC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)C

DOS

IR

Vibrations