Geometry & MOs

Info

ID:	352795
PubChem CID:	127283884
Reduced:	SN7C15H17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	276.206245
ΔH_f, kcal/mol:	135.89
Dipole, Da:	3.68
IP(EA), eV:	-9.25(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-5-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]tetrazole

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CSC(=N2)C3=NC=CC=N3)N4C=NC=N4

DOS

IR

Vibrations