Geometry & MOs

Info

ID:	333326
PubChem CID:	127251878
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	445.214761
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	10.23
IP(EA), eV:	-8.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC)CO

DOS

IR

Vibrations