Geometry & MOs

Info

ID:	335065
PubChem CID:	127253871
Reduced:	N3O6C34H35 (1)
Stoich.:	A3B6C34D35 (1)
Weight, g/mol:	334.24811
ΔH_f, kcal/mol:	-143.3
Dipole, Da:	7.15
IP(EA), eV:	-8.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC=C(C=C2)N(C)C)C3=CNC4=CC=CC=C43)C5=CC(=C(C=C5)O)OC)O

DOS

IR

Vibrations