Geometry & MOs

Info

ID:	167661
PubChem CID:	74854351
Reduced:	ClN2O2C8H13 (2)
Stoich.:	AB2C2D8E13 (2)
Weight, g/mol:	471.179421
ΔH_f, kcal/mol:	-186.33
Dipole, Da:	6.85
IP(EA), eV:	-9.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CCOC)C(=O)C2(CC2(Cl)Cl)C)N

DOS

IR

Vibrations