Geometry & MOs

Info

ID:	336095
PubChem CID:	127255102
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-102.88
Dipole, Da:	6.67
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=CC4=CC=CC=C43)O

DOS

IR

Vibrations