Geometry & MOs

Info

ID:	430745
PubChem CID:	135170812
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	397.218784
ΔH_f, kcal/mol:	14.43
Dipole, Da:	4.94
IP(EA), eV:	-8.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(1-cyclopropylethenylsulfanyl)prop-2-enylamino]cyclohex-3-en-1-yl]-4-ethenyl-N-ethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)N)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations