Geometry & MOs

Info

ID:	216977
PubChem CID:	85087065
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	0.36
IP(EA), eV:	-8.39(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-(1-phenylethyl)-2-(tetrazolidin-5-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NCCCCNC(=O)N)OC

DOS

IR

Vibrations