Geometry & MOs

Info

ID:	59362
PubChem CID:	24844198
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	250.062139
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	5.56
IP(EA), eV:	-8.69(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroazepin-1-yl)-3-methylpyrazole-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCCNC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations