Geometry & MOs

Info

ID:	345453
PubChem CID:	127269753
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	5.07
IP(EA), eV:	-9.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)NC(=O)NC2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations