Geometry & MOs

Info

ID:	362912
PubChem CID:	127309750
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	3.49
IP(EA), eV:	-9.15(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-1-ylmethyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN(C)C(=O)NCC2CCC3=CC=CC=C23

DOS

IR

Vibrations