Geometry & MOs

Info

ID:	437053
PubChem CID:	135214277
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	1.62
IP(EA), eV:	-8.78(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-hydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=CC=C1)NC(=O)NCC2CC3=C(CN2C)C=C(C=C3)O

DOS

IR

Vibrations