Geometry & MOs

Info

ID:	344060
PubChem CID:	127267236
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	349.171417
ΔH_f, kcal/mol:	-15.73
Dipole, Da:	7.83
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,5-difluorophenyl)-2-methylpyrazol-3-yl]-3-[[1-(dimethylamino)cyclopropyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NCC2(CC2)N(C)C

DOS

IR

Vibrations