Geometry & MOs

Info

ID:	200473
PubChem CID:	79394149
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	5.24
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[(3-methoxycyclohexyl)amino]butanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNC2=C(C=CC=N2)C(=O)N

DOS

IR

Vibrations