Geometry & MOs

Info

ID:	70779
PubChem CID:	48413858
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	7.68
IP(EA), eV:	-9.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations