Geometry & MOs

Info

ID:	255477
PubChem CID:	103132364
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	-78.16
Dipole, Da:	1.37
IP(EA), eV:	-8.74(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-methylpropyl)-4-(1-methylpyrazol-3-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)C/C=C/CCNC(C)(C)C

DOS

IR

Vibrations