Geometry & MOs

Info

ID:	17567
PubChem CID:	505061
Reduced:	O3N5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	469.21139
ΔH_f, kcal/mol:	-7.57
Dipole, Da:	3.02
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations