Geometry & MOs

Info

ID:	68415
PubChem CID:	46508368
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	372.183778
ΔH_f, kcal/mol:	-110.53
Dipole, Da:	7.92
IP(EA), eV:	-8.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations