Geometry & MOs

Info

ID:	362902
PubChem CID:	127309732
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-9.67
Dipole, Da:	3.29
IP(EA), eV:	-9.11(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NCC2CCC3=CC=CC=C23)C4=NC=CN4

DOS

IR

Vibrations