Geometry & MOs

Info

ID:	423774
PubChem CID:	135120181
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	3.52
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC2=NOC(=C2C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations