Geometry & MOs

Info

ID:	70801
PubChem CID:	48413889
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	5.16
IP(EA), eV:	-8.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations