Geometry & MOs

Info

ID:	150612
PubChem CID:	53790305
Reduced:	OSN2C10H12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	348.12224
ΔH_f, kcal/mol:	-4.11
Dipole, Da:	3.0
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-4,5-dihydro-1H-pyrazolo[4,3-d][1]benzazepin-6-yl)-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CC=C1)OCCC(=O)NCC2=CSC(=C2)C3=CSC(=N3)N

DOS

IR

Vibrations