Geometry & MOs

Info

ID:	69308
PubChem CID:	46530634
Reduced:	N4O5C26H32 (1)
Stoich.:	A4B5C26D32 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-154.63
Dipole, Da:	7.24
IP(EA), eV:	-8.31(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2,5-dimethyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)OCC(=O)N3CCCCC3

DOS

IR

Vibrations