Geometry & MOs

Info

ID:	437029
PubChem CID:	135213865
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	379.208219
ΔH_f, kcal/mol:	-21.67
Dipole, Da:	4.5
IP(EA), eV:	-8.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CN(C)C(CC1=CC=C(C=C1)O)CNC2=C(C(=O)C2=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations