Geometry & MOs

Info

ID:	276472
PubChem CID:	103823588
Reduced:	N2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	49.56
Dipole, Da:	4.3
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-4-yl-N-[(4-methyloxan-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1(CC1)CNCC2=CN=CC3=CC=CC=C32

DOS

IR

Vibrations