Geometry & MOs

Info

ID:	369021
PubChem CID:	127331127
Reduced:	O3N7C18H29 (1)
Stoich.:	A3B7C18D29 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-93.34
Dipole, Da:	5.01
IP(EA), eV:	-8.65(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NC3CCN(CC3)CC(=O)N(C)C

DOS

IR

Vibrations