Geometry & MOs

Info

ID:	346990
PubChem CID:	127271494
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	278.185509
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	4.1
IP(EA), eV:	-8.84(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[2-(1,2,4-triazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)CNC(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations