Geometry & MOs

Info

ID:	49878
PubChem CID:	11534092
Reduced:	O2N6C33H40 (1)
Stoich.:	A2B6C33D40 (1)
Weight, g/mol:	515.11682
ΔH_f, kcal/mol:	22.99
Dipole, Da:	1.11
IP(EA), eV:	-8.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2-bromoprop-2-enoylamino)-1-benzofuran-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN1C(=O)NC2=CC=C(C=C2)OCCN3CCN(CC3)C4=CC=CC5=C4N=C(N5)C6=CC=C(C=C6)C(C)(C)C

DOS

IR

Vibrations