Geometry & MOs

Info

ID:	333397
PubChem CID:	127251949
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	431.199111
ΔH_f, kcal/mol:	-86.16
Dipole, Da:	8.28
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methoxy-2,5-dimethylphenyl)sulfonyl-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CCC3=C(C2)N=C(N=C3NC)C4CCN(C4)C(=O)C)CO

DOS

IR

Vibrations