Geometry & MOs

Info

ID:	75410
PubChem CID:	48423440
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-67.95
Dipole, Da:	1.51
IP(EA), eV:	-8.73(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations