Geometry & MOs

Info

ID:	200619
PubChem CID:	79415791
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	3.11
IP(EA), eV:	-9.42(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(4-methylcyclohexyl)methylamino]methyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNCC2=CC=C(N2)C(=O)OC

DOS

IR

Vibrations