Geometry & MOs

Info

ID:	418924
PubChem CID:	135107139
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	5.53
IP(EA), eV:	-9.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations