Geometry & MOs

Info

ID:	363687
PubChem CID:	127313305
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	391.10077
ΔH_f, kcal/mol:	-41.01
Dipole, Da:	9.19
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

DOS

IR

Vibrations