Geometry & MOs

Info

ID:	130200
PubChem CID:	51075233
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-30.91
Dipole, Da:	7.59
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

Drug info:

PubChemData

Smile

CC(=O)NCCNC(=O)NCC1=CN(N=C1)C2=CC=CC=C2

DOS

IR

Vibrations