Geometry & MOs

Info

ID:	235995
PubChem CID:	92711323
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-53.93
Dipole, Da:	5.25
IP(EA), eV:	-8.99(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)NCC1=C(N(N=C1C)CC)C

DOS

IR

Vibrations