Geometry & MOs

Info

ID:	430934
PubChem CID:	135171004
Reduced:	O2N4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	1.99
Dipole, Da:	5.57
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(4-hydroxy-3-methylphenyl)methylamino]cyclohexyl]-3-(methylamino)-2H-pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=C(C=C2)OC)C)C(=O)C3=NC(=C)C(=C3)NC=C

DOS

IR

Vibrations