Geometry & MOs

Info

ID:	30234
PubChem CID:	840888
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	45.79
Dipole, Da:	6.16
IP(EA), eV:	-9.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C(=N2)C(=O)N=N)N(O)O

DOS

IR

Vibrations