Geometry & MOs

Info

ID:	445184
PubChem CID:	135264792
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	7.69
IP(EA), eV:	-9.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyprop-1-en-2-ylamino)-1,3-dimethylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(N=C3)N(C(=O)CC4)C(=O)O

DOS

IR

Vibrations