Geometry & MOs

Info

ID:	195272
PubChem CID:	78667400
Reduced:	N3O4C24H34 (1)
Stoich.:	A3B4C24D34 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-142.6
Dipole, Da:	4.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.880646
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

DOS

IR

Vibrations