Geometry & MOs

Info

ID:	369353
PubChem CID:	127332422
Reduced:	N2O3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	4.46
IP(EA), eV:	-8.89(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)OC2CCN(CC2)C(=O)NCC3=CC=CC=C3OC4CCC4

DOS

IR

Vibrations