Geometry & MOs

Info

ID:	276471
PubChem CID:	103823585
Reduced:	FON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	254.178299
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	3.69
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NCC2=C(C=C(C=C2)C#N)F)C

DOS

IR

Vibrations