Geometry & MOs

Info

ID:	415773
PubChem CID:	135088774
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	7.72
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN2CCC(C2)(C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations