Geometry & MOs

Info

ID:	330055
PubChem CID:	127247042
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	6.03
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-2-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCCC2C3=CN=CC(=N3)N(C)C

DOS

IR

Vibrations