Geometry & MOs

Info

ID:	249897
PubChem CID:	103092740
Reduced:	NC16H25 (1)
Stoich.:	AB16C25 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	0.18
Dipole, Da:	1.4
IP(EA), eV:	-8.81(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-propyl-4-(2-propylpyrazol-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=C(C=C1)C(C)C

DOS

IR

Vibrations