Geometry & MOs

Info

ID:	290921
PubChem CID:	111639804
Reduced:	ClON5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	376.202989
ΔH_f, kcal/mol:	33.82
Dipole, Da:	2.88
IP(EA), eV:	-9.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CN=C(NCC(=O)N(C)CCC1=CC=CC=N1)NCC2(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations