Geometry & MOs

Info

ID:	266618
PubChem CID:	103575785
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	210.122909
ΔH_f, kcal/mol:	4.08
Dipole, Da:	2.1
IP(EA), eV:	-9.29(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-methylpyrrolidin-1-yl)-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CC1N)C(=O)C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations