Geometry & MOs

Info

ID:	244688
PubChem CID:	99376407
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	427.152351
ΔH_f, kcal/mol:	-148.04
Dipole, Da:	4.05
IP(EA), eV:	-8.67(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]butanamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NCCC(=O)NCC2=CC=NC=C2)C

DOS

IR

Vibrations