Geometry & MOs

Info

ID:	173331
PubChem CID:	75624513
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	13.91
Dipole, Da:	6.76
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations