Geometry & MOs

Info

ID:	313957
PubChem CID:	126619177
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	479.197569
ΔH_f, kcal/mol:	-65.67
Dipole, Da:	5.67
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O)C

DOS

IR

Vibrations