Geometry & MOs

Info

ID:	70710
PubChem CID:	48413757
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	6.72
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexylcarbamoylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations