Geometry & MOs

Info

ID:	351087
PubChem CID:	127279524
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-106.05
Dipole, Da:	2.69
IP(EA), eV:	-8.65(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)N2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations