Geometry & MOs

Info

ID:	423389
PubChem CID:	135119412
Reduced:	FO4N6C26H29 (1)
Stoich.:	AB4C6D26E29 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	2.53
IP(EA), eV:	-9.25(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC2CCCN(C2)C(=O)C3=C(C=CC(=C3)F)OCCCN4C=C(CN5C=CC=C(C1=O)C5=O)N=N4

DOS

IR

Vibrations