Geometry & MOs

Info

ID:	217617
PubChem CID:	85088109
Reduced:	N2O7C18H26 (1)
Stoich.:	A2B7C18D26 (1)
Weight, g/mol:	382.154209
ΔH_f, kcal/mol:	-313.73
Dipole, Da:	3.33
IP(EA), eV:	-8.97(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-prop-2-ynyl-2-[[3-[(pyrrol-1-ylamino)methylidene]indazol-6-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)OC

DOS

IR

Vibrations