Geometry & MOs

Info

ID:	75137
PubChem CID:	48423074
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-34.03
Dipole, Da:	3.93
IP(EA), eV:	-9.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations