Geometry & MOs

Info

ID:	255481
PubChem CID:	103132372
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	254.178299
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	4.26
IP(EA), eV:	-8.67(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-isoquinolin-8-yl-N-propylpent-3-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations