Geometry & MOs

Info

ID:	433189
PubChem CID:	135173326
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	317.21435
ΔH_f, kcal/mol:	-102.86
Dipole, Da:	4.34
IP(EA), eV:	-9.25(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(cyclobuten-1-yl)ethyl]-3-methylidenecyclohexa-1,4-dien-1-yl]methyl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC(C)CC(=O)N[C@H]1C[C@H](C=C1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations