Geometry & MOs

Info

ID:	342597
PubChem CID:	127265757
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	6.83
IP(EA), eV:	-9.53(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[4-(ethoxymethyl)phenyl]-1-methylurea

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C=CC2=NC3=CC=CC=C3N=C2)CO

DOS

IR

Vibrations