Geometry & MOs

Info

ID:	75117
PubChem CID:	48423017
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	6.13
IP(EA), eV:	-9.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=NN=C3N2CCCCC3

DOS

IR

Vibrations