Geometry & MOs

Info

ID:	275229
PubChem CID:	103814703
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-62.66
Dipole, Da:	5.67
IP(EA), eV:	-8.87(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-methyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=C1)CNC(=O)COCCN

DOS

IR

Vibrations