Geometry & MOs

Info

ID:	430059
PubChem CID:	135170116
Reduced:	OF2N2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	479.208803
ΔH_f, kcal/mol:	-152.18
Dipole, Da:	2.85
IP(EA), eV:	-8.62(1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(6-benzyl-2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(CCF)[C@H](CCF)COC

DOS

IR

Vibrations