Geometry & MOs

Info

ID:	435623
PubChem CID:	135191963
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	3.62
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-[(3S)-8-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=NCC1=CC=CC=C1)/C=C(/C(=O)N[C@H]2COC3=CC=CC=C3N(C2=O)C)\N

DOS

IR

Vibrations