Geometry & MOs

Info

ID:	182420
PubChem CID:	76887671
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	3.04
IP(EA), eV:	-9.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,3-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CCCCCCC(C)NC(=O)C(CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations