Geometry & MOs

Info

ID:	250011
PubChem CID:	103093507
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	263.236148
ΔH_f, kcal/mol:	11.31
Dipole, Da:	3.62
IP(EA), eV:	-8.99(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-tert-butyl-1-methylpyrazol-4-yl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=C(C=CN=C1)C)/C

DOS

IR

Vibrations