Geometry & MOs

Info

ID:	293316
PubChem CID:	117384207
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	6.53
Dipole, Da:	3.71
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-isocyanatocyclopropyl)-4-propan-2-ylisoquinoline

Drug info:

PubChemData

Smile

CC1=NC=CC2=C1C=CC(=C2)C3(CCCC3)N=C=O

DOS

IR

Vibrations