Geometry & MOs

Info

ID:	69002
PubChem CID:	46515101
Reduced:	O4N5H23C25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	3.9
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations