Geometry & MOs

Info

ID:	310299
PubChem CID:	126578231
Reduced:	PO6N7C27H48 (1)
Stoich.:	AB6C7D27E48 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-320.4
Dipole, Da:	7.4
IP(EA), eV:	-9.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCCOC(=O)C(C)(C)NP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N[C@@H](CC(=O)OC(C)C)C(C)C

DOS

IR

Vibrations