Geometry & MOs

Info

ID:	275126
PubChem CID:	103813928
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	311.06332
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	7.53
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-N-(6-bromopyridin-3-yl)-3-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)NC1=CN=C(C=C1)Br)N

DOS

IR

Vibrations