Geometry & MOs

Info

ID:	419055
PubChem CID:	135107394
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-79.8
Dipole, Da:	3.21
IP(EA), eV:	-8.38(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(hydroxymethyl)-7-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)C2CCCN(C2)C3CCCCC3

DOS

IR

Vibrations