Geometry & MOs

Info

ID:	79827
PubChem CID:	49830652
Reduced:	N4O5C29H30 (1)
Stoich.:	A4B5C29D30 (1)
Weight, g/mol:	484.258674
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	3.87
IP(EA), eV:	-8.88(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)OCC(=O)NCCO

DOS

IR

Vibrations