Geometry & MOs

Info

ID:	438821
PubChem CID:	135228578
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-49.01
Dipole, Da:	4.67
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6E,7E)-6-ethylidene-7-prop-2-enylidene-5H-pyrrolo[1,2-c]imidazol-5-yl]-1-piperidin-3-ylethanol

Drug info:

PubChemData

Smile

CC1C(C=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations