Geometry & MOs

Info

ID:	440766
PubChem CID:	135231354
Reduced:	BrOSN4H19C20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	47.99
Dipole, Da:	4.81
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSNC2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3)Br

DOS

IR

Vibrations